3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y508-7339 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| Molecular Weight: | 281.74 |
| Molecular Formula: | C13 H16 Cl N3 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4246 |
| logD: | 0.2402 |
| logSw: | -2.5321 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.012 |
| InChI Key: | SEWAAGVSSSBDQV-UHFFFAOYSA-N |